1-methyl-3-[4-(2-methylpyrrolidin-2-yl)phenoxy]piperidine

C17H26N2O — CID 117438903

IUPAC1-methyl-3-[4-(2-methylpyrrolidin-2-yl)phenoxy]piperidine
SMILESCN1CCCC(Oc2ccc(C3(C)CCCN3)cc2)C1
InChIInChI=1S/C17H26N2O/c1-17(10-4-11-18-17)14-6-8-15(9-7-14)20-16-5-3-12-19(2)13-16/h6-9,16,18H,3-5,10-13H2,1-2H3
InChIKeyNQPVQHVMBMAFQR-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.76
Rot. Bonds3

About 1-methyl-3-[4-(2-methylpyrrolidin-2-yl)phenoxy]piperidine

1-methyl-3-[4-(2-methylpyrrolidin-2-yl)phenoxy]piperidine (PubChem CID 117438903) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-methyl-3-[4-(2-methylpyrrolidin-2-yl)phenoxy]piperidine.

Molecular Properties

Compound Name1-methyl-3-[4-(2-methylpyrrolidin-2-yl)phenoxy]piperidine
PubChem CID117438903
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-methyl-3-[4-(2-methylpyrrolidin-2-yl)phenoxy]piperidine
SMILESCN1CCCC(Oc2ccc(C3(C)CCCN3)cc2)C1
InChIInChI=1S/C17H26N2O/c1-17(10-4-11-18-17)14-6-8-15(9-7-14)20-16-5-3-12-19(2)13-16/h6-9,16,18H,3-5,10-13H2,1-2H3
InChIKeyNQPVQHVMBMAFQR-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-3-[4-(2-methylpyrrolidin-2-yl)phenoxy]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methoxydine
CID 15100753
(2r)-2-[(4-Benzylphenoxy)methyl]pyrrolidine
CID 16222640
N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]cyclopropanamine
CID 9879041
1-Propan-2-yl-4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidine
CID 9879473
((4-((4-Methylphenyl)methoxy)phenyl)methyl)((piperidin-4-yl)methyl)amine
CID 16004280
1-[(4-Ethoxyphenyl)methyl]piperazine
CID 796533
N-Methyl-4-phenyl-4-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-butan-1-amine
CID 49836200
N-ethyl-N-(4-(8-(piperidin-1-yl)octyloxy)benzyl)ethanamine
CID 46890026
7-(2-piperidin-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 10423494
Diethyl-[2-(4-piperidin-1-ylmethyl-phenoxy)-ethyl]-amine
CID 11808427
(S)-2-(4-Benzyl-phenoxymethyl)-pyrrolidine
CID 16222641
N-ethyl-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine
CID 20038725

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(2-methylpyrrolidin-2-yl)phenoxy]piperidine?
The IUPAC name of 1-methyl-3-[4-(2-methylpyrrolidin-2-yl)phenoxy]piperidine (CID 117438903) is 1-methyl-3-[4-(2-methylpyrrolidin-2-yl)phenoxy]piperidine.
What is the SMILES notation for 1-methyl-3-[4-(2-methylpyrrolidin-2-yl)phenoxy]piperidine?
The canonical SMILES for 1-methyl-3-[4-(2-methylpyrrolidin-2-yl)phenoxy]piperidine is CN1CCCC(Oc2ccc(C3(C)CCCN3)cc2)C1.
What is the InChIKey of 1-methyl-3-[4-(2-methylpyrrolidin-2-yl)phenoxy]piperidine?
The InChIKey is NQPVQHVMBMAFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(10-4-11-18-17)14-6-8-15(9-7-14)20-16-5-3-12-19(2)13-16/h6-9,16,18H,3-5,10-13H2,1-2H3.
What are the key properties of 1-methyl-3-[4-(2-methylpyrrolidin-2-yl)phenoxy]piperidine?
1-methyl-3-[4-(2-methylpyrrolidin-2-yl)phenoxy]piperidine has a molecular weight of 274.41 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(2-methylpyrrolidin-2-yl)phenoxy]piperidine is sourced from PubChem (CID 117438903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).